1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane

C7H12FNO — CID 170913047

IUPAC1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESFCC12CNCC(C1)OC2
InChIInChI=1S/C7H12FNO/c8-3-7-1-6(10-5-7)2-9-4-7/h6,9H,1-5H2
InChIKeyZKCMRNNLUWMRDO-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.33
Rot. Bonds1

About 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane

1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 170913047) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID170913047
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESFCC12CNCC(C1)OC2
InChIInChI=1S/C7H12FNO/c8-3-7-1-6(10-5-7)2-9-4-7/h6,9H,1-5H2
InChIKeyZKCMRNNLUWMRDO-UHFFFAOYSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane (CID 170913047) is 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane is FCC12CNCC(C1)OC2.
What is the InChIKey of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is ZKCMRNNLUWMRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-3-7-1-6(10-5-7)2-9-4-7/h6,9H,1-5H2.
What are the key properties of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane?
1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 145.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170913047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).